N-[[4-(benzimidazol-1-yl)phenyl]methyl]-1-(phenylmethyl)pyrrolidin-3-amine; ethanedioic acid

Systemtic Name: N-[[4-(benzimidazol-1-yl)phenyl]methyl]-1-(phenylmethyl)pyrrolidin-3-amine; ethanedioic acid Openeye Name: N-[[4-(benzimidazol-1-yl)phenyl]methyl]-1-benzyl-pyrrolidin-3-amine; oxalic acid CAS Name: N-[[4-(1-benzimidazolyl)phenyl]methyl]-1-(phenylmethyl)-3-pyrrolidinamine; oxalic acid IUPAC Name: N-[[4-(benzimidazol-1-yl)phenyl]methyl]-1-benzylpyrrolidin-3-amine; oxalic acid Traditional Name: [4-(benzimidazol-1-yl)benzyl]-(1-benzylpyrrolidin-3-yl)amine; oxalic acid Formula: C27H28N4O4 MolecularWeight: 472.53562

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC1NCC2=CC=C(C=C2)N3C=NC4=CC=CC=C43)CC5=CC=CC=C5.C(=O)(C(=O)O)O

Isomeric SMILES

C1CN(CC1NCC2=CC=C(C=C2)N3C=NC4=CC=CC=C43)CC5=CC=CC=C5.C(=O)(C(=O)O)O

InChI

InChI=1S/C25H26N4.C2H2O4/c1-2-6-21(7-3-1)17-28-15-14-22(18-28)26-16-20-10-12-23(13-11-20)29-19-27-24-8-4-5-9-25(24)29;3-1(4)2(5)6/h1-13,19,22,26H,14-18H2;(H,3,4)(H,5,6)